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AutoMapper: A python tool for accelerating the polymer bonding workflow in LAMMPS (2022)

First Author: Bone M

Attributed to: Enabling high throughput molecular dynamics with automation and machine learning for development of advanced engineering polymers funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1016/j.commatsci.2022.111204

Publication URI: http://dx.doi.org/10.1016/j.commatsci.2022.111204

Type: Journal Article/Review

Parent Publication: Computational Materials Science